(3-nitrophenyl)-(3,3,5-trinitrocyclohexa-1,4-dien-1-yl)methanone

Systemtic Name: (3-nitrophenyl)-(3,3,5-trinitrocyclohexa-1,4-dien-1-yl)methanone Openeye Name: (3-nitrophenyl)-(3,3,5-trinitrocyclohexa-1,4-dien-1-yl)methanone CAS Name: (3-nitrophenyl)-(3,3,5-trinitro-1-cyclohexa-1,4-dienyl)methanone IUPAC Name: (3-nitrophenyl)-(3,3,5-trinitrocyclohexa-1,4-dien-1-yl)methanone Traditional Name: (3-nitrophenyl)-(3,3,5-trinitrocyclohexa-1,4-dien-1-yl)methanone Formula: C13H8N4O9 MolecularWeight: 364.22402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(C=C1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=CC(C=C1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O9/c18-12(8-2-1-3-10(4-8)14(19)20)9-5-11(15(21)22)7-13(6-9,16(23)24)17(25)26/h1-4,6-7H,5H2